124172

Source:http://linkedlifedata.com/resource/chembl/compound/124172

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H13N5O4/c17-3-7(4-18)20-6-15-5-13-8-9(15)14-11-12-1-2-16(11)10(8)19/h1-2,5,7,17-19H,3-4,6H2
chemicalCompound:standardIn...	LALVOXSZIAXMQY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(CO)OCn1cnc2c(O)n3ccnc3nc12
chemicalCompound:molecularF...	C11 H13 N5 O4
chemicalCompound:moleculeId	124172
chemicalCompound:mwFreebase	279.252
chemicalCompound:alogp	-0.796
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	117.93
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.572
chemicalCompound:acdLogP	-1.431
chemicalCompound:acdLogD	-4.08
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	279.252
chemicalCompound:acdMostBpk...	8.367
chemicalCompound:chemblId	CHEMBL307859
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224172
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:555466, activity:555467, activity:555468, activity:555469, activity:555470, activity:555471, activity:555472, activity:555473, activity:555474, activity:555475, activity:555476, activity:555477, activity:555478, activity:555479, activity:555480, activity:555481, activity:555482, activity:555483, activity:1092320, activity:1092321, activity:1092322, activity:1092323, activity:1092324, activity:1092325, activity:1092326, activity:1092327, activity:1092328